Abstract
In
this
study,
new
Schiff
base
derivatives
of
α‐naphthalene
acetic
acid
containing
alkyl
phenyl
ether
fragment
have
been
effectively
synthesized
through
multistep
reaction
process,
characterized
by
1
H‐NMR
and
13
C‐NMR
spectroscopy.
These
tested
for
their
in
vitro
α‐amylase
α‐glucosidase
inhibitory
activities.
the
series,
8
compounds
(
2j,
2f,
2e,
2m,
2a,
2b,
2l,
2c
)
exhibited
promising
inhibition
with
IC
50
values
from
5.38
±
0.36
to
14.59
0.64
µg/mL.
Similarly,
case
activity,
10
2c,
2i,
2d,
2l
excellent
activity
having
6.96
0.39
16.27
0.31
µg/mL,
wheras
remaining
good‐to‐least
antidiabetic
potential.
The
ADME
properties
were
calculated
all
using
Swiss‐ADME
web
tool.
Furthermore,
docking
studies
identified
binding
modes
compounds.
Scientific Reports,
Год журнала:
2024,
Номер
14(1)
Опубликована: Фев. 10, 2024
Abstract
A
library
of
novel
bis
-Schiff
base
derivatives
based
on
thiobarbituric
acid
has
been
effectively
synthesized
by
multi-step
reactions
as
part
our
ongoing
pursuit
anti-diabetic
agents.
All
these
were
subjected
to
in
vitro
α-glucosidase
inhibitory
potential
testing
after
structural
confirmation
modern
spectroscopic
techniques.
Among
them,
compound
8
(IC
50
=
0.10
±
0.05
µM),
and
9
0.13
0.03
µM)
exhibited
promising
activity
better
than
the
standard
drug
acarbose
0.27
0.04
µM).
Similarly,
(
5
,
6
7
10
4
)
showed
significant
good
range
IC
values
from
0.32
0.52
0.02
µM.
These
docked
with
target
protein
elucidate
their
binding
affinities
key
interactions,
providing
additional
insights
into
mechanisms.
The
chemical
nature
compounds
reveal
performing
density
functional
theory
(DFT)
calculation
using
hybrid
B3LYP
6-311++G(d,p)
basis
set.
presence
intramolecular
H-bonding
was
explored
DFT-d3
reduced
gradient
(RGD)
analysis.
Furthermore,
various
reactivity
parameters
TD-DFT
at
CAM-B3LYP/6-311++G(d,p)
method.
Chemistry & Biodiversity,
Год журнала:
2024,
Номер
21(8)
Опубликована: Май 23, 2024
Thirteen
novel
hydrazone-Schiff
bases
(3-15)
of
fexofenadine
were
succesfully
synthesized,
structurally
deduced
and
finally
assessed
their
capability
to
inhibit
urease
enzyme
(in
vitro).
In
the
series,
six
compounds
12
(IC
